1.0Quantum Monte Carlohttps://vallico.net/casinoqmcrich600338<blockquote class="wp-embedded-content" data-secret="6QRl8oS3EB"><a href="https://vallico.net/casinoqmc/faqs/d6/">D6: I use the <code>runpwscf</code> script included with CASINO to run the PWSCF code, and I get no output. Why?</a></blockquote><iframe sandbox="allow-scripts" security="restricted" src="https://vallico.net/casinoqmc/faqs/d6/embed/#?secret=6QRl8oS3EB" width="600" height="338" title="“D6: I use the <code>runpwscf</code> script included with CASINO to run the PWSCF code, and I get no output. Why?” — Quantum Monte Carlo" data-secret="6QRl8oS3EB" frameborder="0" marginwidth="0" marginheight="0" scrolling="no" class="wp-embedded-content"></iframe><script> /*! This file is auto-generated */ !function(d,l){"use strict";l.querySelector&&d.addEventListener&&"undefined"!=typeof URL&&(d.wp=d.wp||{},d.wp.receiveEmbedMessage||(d.wp.receiveEmbedMessage=function(e){var t=e.data;if((t||t.secret||t.message||t.value)&&!/[^a-zA-Z0-9]/.test(t.secret)){for(var s,r,n,a=l.querySelectorAll('iframe[data-secret="'+t.secret+'"]'),o=l.querySelectorAll('blockquote[data-secret="'+t.secret+'"]'),c=new RegExp("^https?:$","i"),i=0;i<o.length;i++)o[i].style.display="none";for(i=0;i<a.length;i++)s=a[i],e.source===s.contentWindow&&(s.removeAttribute("style"),"height"===t.message?(1e3<(r=parseInt(t.value,10))?r=1e3:~~r<200&&(r=200),s.height=r):"link"===t.message&&(r=new URL(s.getAttribute("src")),n=new URL(t.value),c.test(n.protocol))&&n.host===r.host&&l.activeElement===s&&(d.top.location.href=t.value))}},d.addEventListener("message",d.wp.receiveEmbedMessage,!1),l.addEventListener("DOMContentLoaded",function(){for(var e,t,s=l.querySelectorAll("iframe.wp-embedded-content"),r=0;r<s.length;r++)(t=(e=s[r]).getAttribute("data-secret"))||(t=Math.random().toString(36).substring(2,12),e.src+="#?secret="+t,e.setAttribute("data-secret",t)),e.contentWindow.postMessage({message:"ready",secret:t},"*")},!1)))}(window,document); //# sourceURL=https://vallico.net/casinoqmc/wp-includes/js/wp-embed.min.js </script> Like runqmc, the runpwscf script uses the CASINO architecture scheme in order to know how to run calculations on any given machine. The data files containing the machine definition is in CASINO/arch/data/xx.arch (the ‘arch file’). If your CASINO arch file defines a command for running CASINO and PWSCF (such as SCRIPT_RUN: mpirun -np &NPROC& &BINARY&), … Continue reading →